Chemical Properties of Benzene, 3,5-dichloro-1-methoxy- (CAS 33719-74-3)

InChI

InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

InChI Key

SSNXYMVLSOMJLU-UHFFFAOYSA-N

Formula

C7H6Cl2O

SMILES

COc1cc(Cl)cc(Cl)c1

Molecular Weight¹

177.03

CAS

33719-74-3

Other Names

• 3,5-Dichloroanisole
• Benzene, 1,3-dichloro-5-methoxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-125.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.68	kJ/mol	Thermochemical study of four isomers of dichloroanisole
ΔsubH°	79.00 ± 1.50	kJ/mol	NIST
ΔvapH°	59.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	3.002		Crippen Calculated Property
McVol	116.080	ml/mol	McGowan Calculated Property
Inp	[1217.00; 1264.40]
Inp	1236.00		NIST
Inp	1243.00		NIST
Inp	1254.00		NIST
Inp	1238.00		NIST
Inp	1222.00		NIST
Inp	1232.00		NIST
Inp	1264.40		NIST
Inp	1217.00		NIST
Inp	1229.00		NIST
Inp	1264.40		NIST
I	[1744.00; 1800.00]
I	1780.00		NIST
I	1800.00		NIST
I	1798.00		NIST
I	1770.00		NIST
I	1744.00		NIST
I	1757.00		NIST
I	1780.00		NIST
I	1770.00		NIST
Tboil	493.96	K	Relay (1.0) Calculated Property
Tfus	281.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.95; 254.69]	J/mol×K	[493.48; 720.45]
Cp,gas	206.95	J/mol×K	493.48	Joback Calculated Property
Cp,gas	216.08	J/mol×K	531.31	Joback Calculated Property
Cp,gas	224.74	J/mol×K	569.14	Joback Calculated Property
Cp,gas	232.93	J/mol×K	606.96	Joback Calculated Property
Cp,gas	240.65	J/mol×K	644.79	Joback Calculated Property
Cp,gas	247.90	J/mol×K	682.62	Joback Calculated Property
Cp,gas	254.69	J/mol×K	720.45	Joback Calculated Property
η	[0.0002335; 0.0013457]	Pa×s	[302.18; 493.48]
η	0.0013457	Pa×s	302.18	Joback Calculated Property
η	0.0008743	Pa×s	334.06	Joback Calculated Property
η	0.0006124	Pa×s	365.95	Joback Calculated Property
η	0.0004541	Pa×s	397.83	Joback Calculated Property
η	0.0003521	Pa×s	429.71	Joback Calculated Property
η	0.0002827	Pa×s	461.60	Joback Calculated Property
η	0.0002335	Pa×s	493.48	Joback Calculated Property
ΔfusH	23.68	kJ/mol	310.50	NIST

Similar Compounds

Find more compounds similar to Benzene, 3,5-dichloro-1-methoxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermochemical study of four isomers of dichloroanisole
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.